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Title: Thermal transport in phase-stabilized lithium zirconate phosphates

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/5.0013716· OSTI ID:1716822

The thermal properties of yttrium-stabilized lithium zirconate phosphate [LZP: Li1+x+yYxZr2-x(PO4)3 with x = 0.15, -0.2 ≤ y ≤ 0.4 and with x = 0.0, y = 0.0] are presented over a wide temperature range from 30 to 973 K, elucidating the interplay between structural phase transformations and thermal properties in a solid state superionic conducting material. At room temperature, the thermal conductivity decreases by more than 75% as the stoichiometry is changed from lithium deficient to excess and increases with increasing temperature, indicative of defect-mediated transport in the spark plasma sintered materials. The phase transformations and their stabilities are examined by x-ray diffraction and differential scanning calorimetry and indicate that the Y3+ substitution of Zr4+ is effective in stabilizing the ionically conductive rhombohedral phase over the entire temperature range measured, the mechanism of which is found through ab initio theoretical calculations. Finally, these insights into thermal transport of LZP superionic conductors are valuable as they may be generally applicable for predicting material stability and thermal management in the ceramic electrolyte of future all-solid-state-battery devices.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC); National Science Foundation (NSF)
Grant/Contract Number:
89233218CNA000001; 20190516ECR
OSTI ID:
1716822
Alternate ID(s):
OSTI ID: 1637724
Report Number(s):
LA-UR-20-24103; TRN: US2204903
Journal Information:
Applied Physics Letters, Vol. 117, Issue 1; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

References (45)

International Round-Robin Study of the Thermoelectric Transport Properties of an n-Type Half-Heusler Compound from 300 K to 773 K journal September 2015
Factors Favoring Ferroelectricity in Hafnia: A First-Principles Computational Study journal February 2017
New lithium-ion conductors based on the NASICON structure journal January 1999
Heat transport over nonmagnetic lithium chains in LiCuVO4, a new one-dimensional superionic conductor journal November 2003
New horizons for inorganic solid state ion conductors journal January 2018
High-Temperature Lithium Mobility in α-LiZr 2 (PO 4 ) 3 NASICON by Neutron Diffraction journal April 2003
Struttura Cristallografica del Gruppo Isomorfo (Si4+, Ti4+, Zr4+, Sn4+, Hf4+) P2O7 journal January 1935
Review on solid electrolytes for all-solid-state lithium-ion batteries journal June 2018
A Critical Review of Thermal Issues in Lithium-Ion Batteries journal January 2011
The structure of the metastable precipitates formed during ageing of an Al-Mg-Si alloy journal July 1972
The role of the solid electrolyte interphase layer in preventing Li dendrite growth in solid-state batteries journal January 2018
Li mobility in triclinic and rhombohedral phases of the Nasicon-type compound LiZr2(PO4)3 as deduced from NMR spectroscopy journal August 2002
Lithium ion conductors in the system AB(IV)2(PO4)3 (B = Ti, Zr and Hf) journal January 1986
NASICON-type Li1+2xZr2−xCax(PO4)3 with high ionic conductivity at room temperature journal January 2011
Mastering the interface for advanced all-solid-state lithium rechargeable batteries journal November 2016
Ionic conductivity of LiM2(PO4)3 (M=Ti, Zr, Hf) and related compositions journal May 1994
Inhomogeneous Electron Gas journal November 1964
Thermal properties of Li conducting superionic matirials journal April 1995
Thermodynamic limit for synthesis of metastable inorganic materials journal April 2018
Electrical and thermal properties of polycrystalline Li2SO4 and Ag2SO4 journal January 1999
Crystal chemistry of the monazite and xenotime structures journal February 1995
Specific heat and thermal conductivity of superionic conductors in the superionic phase journal September 1997
Thermal and ionic conductivity studies of lithium aluminum germanium phosphate solid-state electrolyte journal June 2016
Relevance of solid electrolytes for lithium-based batteries: A realistic view journal June 2017
Dopants Promoting Ferroelectricity in Hafnia: Insights from a comprehensive Chemical Space Exploration journal October 2017
Room temperature triclinic modification of NASICON-type LiZr2(PO4)3 journal October 1998
Pathways towards ferroelectricity in hafnia journal August 2014
Stabilization of metastable phases in hafnia owing to surface energy effects journal April 2016
Thermodynamic properties of LiZr2(PO4)3 crystal phosphate journal July 2013
Ab initiomolecular dynamics for liquid metals journal January 1993
The Impact of Elastic Deformation on Deposition Kinetics at Lithium/Polymer Interfaces journal January 2005
Lithium location in NASICON-type Li+ conductors by neutron diffraction. I. Triclinic α′-LiZr2(PO4)3 journal August 1999
Order–Disorder and Mobility of Li+ in the β′- and β-LiZr2(PO4)3 Ionic Conductors: A Neutron Diffraction Study journal July 2000
Ferroelectricity in hafnium oxide thin films journal September 2011
Suppression of Dendritic Lithium Growth by in Situ Formation of a Chemically Stable and Mechanically Strong Solid Electrolyte Interphase journal December 2017
Lithium metal anodes for rechargeable batteries journal January 2014
Ionic Conductivity of Solid Electrolytes Based on Lithium Titanium Phosphate journal January 1990
Li1.2Zr1.9Ca0.1(PO4)3, a room-temperature Li-ion solid electrolyte journal September 2011
Electrolytes for solid-state lithium rechargeable batteries: recent advances and perspectives journal January 2011
Elaboration of controlled size Li1.5Al0.5Ge1.5(PO4)3 crystallites from glass-ceramics journal November 2014
Analysis of the heat generation of lithium-ion battery during charging and discharging considering different influencing factors journal January 2014
Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction journal December 2015
Lithium battery chemistries enabled by solid-state electrolytes journal February 2017
High Li+ conduction in NASICON-type Li1+xYxZr2−x(PO4)3 at room temperature journal October 2013
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965